2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid

C15H14N2O4 — CID 63746700

IUPAC2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid
SMILESNc1cccc(C(=O)Nc2ccccc2OCC(=O)O)c1
InChIInChI=1S/C15H14N2O4/c16-11-5-3-4-10(8-11)15(20)17-12-6-1-2-7-13(12)21-9-14(18)19/h1-8H,9,16H2,(H,17,20)(H,18,19)
InChIKeyCIDHWRNAWNWFDS-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.98
Rot. Bonds5

About 2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid

2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid (PubChem CID 63746700) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid
PubChem CID63746700
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid
SMILESNc1cccc(C(=O)Nc2ccccc2OCC(=O)O)c1
InChIInChI=1S/C15H14N2O4/c16-11-5-3-4-10(8-11)15(20)17-12-6-1-2-7-13(12)21-9-14(18)19/h1-8H,9,16H2,(H,17,20)(H,18,19)
InChIKeyCIDHWRNAWNWFDS-UHFFFAOYSA-N
XLogP1.98
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
CID 22554
3-amino-N-(2-propan-2-yloxyphenyl)benzamide
CID 28722379
2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid
CID 114819008
2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid
CID 35261813
2-[2-(but-2-ynoylamino)phenoxy]acetic acid
CID 107986692
2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63746198
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid
CID 134433696
4-(5-amino-2-benzamidophenoxy)butanoic acid
CID 59419070
3-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54790844

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid (CID 63746700) is 2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid is Nc1cccc(C(=O)Nc2ccccc2OCC(=O)O)c1.
What is the InChIKey of 2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid?
The InChIKey is CIDHWRNAWNWFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c16-11-5-3-4-10(8-11)15(20)17-12-6-1-2-7-13(12)21-9-14(18)19/h1-8H,9,16H2,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid?
2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid has a molecular weight of 286.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 63746700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).